N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C18H25N5O4S2/c1-22-13-19-21-18(22)28-12-17(24)20-15-11-14(7-8-16(15)27-2)29(25,26)23-9-5-3-4-6-10-23/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,24)